Vitas-M small molecule compound
5-bromo-N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2-methoxy-3-methylbenzamide
Catalog ID
STK347357
SMILES COc1c(C)cc(cc1C(=O)NC(=S)Nc1ccc2c3c1cccc3CC2)Br
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H19BrN2O2S MW 455.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN2O2S/c1-12-10-15(23)11-17(20(12)27-2)21(26)25-22(28)24-18-9-8-14-7-6-13-4-3-5-16(18)19(13)14/h3-5,8-11H,6-7H2,1-2H3,(H2,24,25,26,28)InChIKey
INRITQPXWRHPBQ-UHFFFAOYSA-NSynonyms
5bromoN(12dihydroacenaphthylen5ylcarbamothioyl)2methoxy3methylbenzamide
CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=C3C=CC=C4C3=C(CC4)C=C2)OC
InChI=1SC22H19BrN2O2Sc1121015(23)1117(20(12)272)21(26)2522(28)24189814761343516(18)19(13)14h35811H67H212H3(H224252628)
MFCD05994621
ZINC000001124400
ZINC01124400
ZINC1124400
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